5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide

C15H17NO5S — CID 78872860

IUPAC5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C15H17NO5S/c1-20-10-12-5-8-14(21-12)15(17)16-9-11-3-6-13(7-4-11)22(2,18)19/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyNYCYDIXFALNLRK-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.76
Rot. Bonds6

About 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide

5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide (PubChem CID 78872860) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
PubChem CID78872860
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C15H17NO5S/c1-20-10-12-5-8-14(21-12)15(17)16-9-11-3-6-13(7-4-11)22(2,18)19/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyNYCYDIXFALNLRK-UHFFFAOYSA-N
XLogP1.76
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78887130
5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 78873760
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55996476
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide (CID 78872860) is 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide is COCc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide?
The InChIKey is NYCYDIXFALNLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-20-10-12-5-8-14(21-12)15(17)16-9-11-3-6-13(7-4-11)22(2,18)19/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 78872860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).